SCHEMBL6237103

SCHEMBL6237103

NCCNCCOCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
CHRM2 P08172 1/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 4/20 0.44
SIGMAR1 Q99720 2/20 0.44
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
AKT2 P31751 1/20 0.43
LMNA P02545 1/20 0.43
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6237709 0.83 DRD2 (0.47) AGXTCHRM2DRD4DRD2DRD3
SCHEMBL6239315 0.82 TSHR (0.50) IDO1SIGMAR1LMNADRD4DRD2
SCHEMBL6235218 0.82 SIGMAR1 (0.64) IDO1SIGMAR1TAAR1ALDH1A1
SCHEMBL27816306 0.82 IDO1 (0.52) IDO1AGXTCHRM2KDM4ETHRB
Hydrochloric Acid SCHEMBL5007115 0.81 IDO1 (0.47) IDO1KDM4ESIGMAR1LMNADRD4
SCHEMBL6240433 0.81 CYP3A4 (0.51) IDO1AGXTCHRM2MAOBDRD4
SCHEMBL25985295 0.79 TSHR (0.47) SIGMAR1LMNADRD4DRD2DRD3
SCHEMBL5988114 0.79 IDO1 (0.48) IDO1AGXTCHRM2KDM4ETHRB
SCHEMBL6237097 0.78 LMNA (0.48) IDO1AGXTPRKACAPRKACGPRKACB
SCHEMBL21207996 0.77 TSHR (0.44) TDP1LMNADRD4DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
WO-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed